7K9A
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.621, 157.351, 48.846 |
| Unit cell angles | 90.00, 101.64, 90.00 |
Refinement procedure
| Resolution | 47.890 - 2.000 |
| R-factor | 0.1684 |
| Rwork | 0.166 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u39 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.116 | 0.085 | 0.433 |
| Rmeas | 0.130 | 0.095 | 0.493 |
| Rpim | 0.057 | 0.040 | 0.230 |
| Total number of observations | 161786 | ||
| Number of reflections | 34441 | 1768 | 1590 |
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 97.6 | 98.3 | 91.3 |
| Redundancy | 4.7 | 5 | 4 |
| CC(1/2) | 0.984 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6 M AmSO4, 0.5 M LiCl |
